Geometry & MOs

Info

ID:	382952
PubChem CID:	134974400
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	596.38656
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	2.76
IP(EA), eV:	-9.62(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(21R,25S)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18-decaene

Drug info:

PubChemData

Smile

CC#C[C@@H](C)[C@@H]([C@@H](C)CO)OC

DOS

IR

Vibrations